Geometry & MOs

Info

ID:	194670
PubChem CID:	78572258
Reduced:	NOF4H13C17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	395.141596
ΔH_f, kcal/mol:	-192.48
Dipole, Da:	2.95
IP(EA), eV:	-9.78(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-methoxyphenyl)ethylideneamino]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)C=CC2=CC=C(C=C2)C(F)(F)F)F

DOS

IR

Vibrations